6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl propyl sulfide

SpectraBase Compound ID	6vwCfPsmU9O
InChI	InChI=1S/C19H16ClFN4OS/c1-2-10-27-19-23-18-16(24-25-19)11-6-3-4-9-14(11)22-17(26-18)15-12(20)7-5-8-13(15)21/h3-9,17,22H,2,10H2,1H3
InChIKey	CXEJBZXGKKOTGI-UHFFFAOYSA-N Google Search
Mol Weight	402.88 g/mol
Molecular Formula	C19H16ClFN4OS
Exact Mass	402.071738 g/mol

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SpectraBase Spectrum ID	LLqaRJogLTR
Name	6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl propyl sulfide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C19H16ClFN4OS/c1-2-10-27-19-23-18-16(24-25-19)11-6-3-4-9-14(11)22-17(26-18)15-12(20)7-5-8-13(15)21/h3-9,17,22H,2,10H2,1H3
InChIKey	CXEJBZXGKKOTGI-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16177
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/8076713; UBI_ID: UBI-016180
Synonyms	6-(2-chloro-6-fluorophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	308 °C